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Most of the ongoing projects aimed at the development of specific therapies and vaccines against COVID-19 use the SARS-CoV-2 spike (S) protein as the main target [1-3]. The binding of the spike protein with the ACE2 receptor (ACE2) of the…

Biological Physics · Physics 2021-11-17 Claudia R. Arbeitman , Pablo Rojas , Pedro Ojeda-May , Martin E. Garcia

SARS-CoV-2, the causative agent of the disease known as Covid-19, has so far reported around 3,435,000 cases of human infections, including more than 239,000 deaths in 187 countries, with no effective treatment currently available. For this…

Spike (S) glycoproteins mediate the coronavirus entry into the host cell. The S1 subunit of S-proteins contains the receptor-binding domain (RBD) that is able to recognize different host receptors, highlighting its remarkable capacity to…

Biomolecules · Quantitative Biology 2020-12-23 Patrícia P. D. Carvalho , Nelson A. Alves

The COVID-19 pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has spurred unprecedented and concerted worldwide research to curtail and eradicate this pathogen. SARS-CoV-2 has four structural proteins:…

Biological Physics · Physics 2022-09-26 Siyu Li , Roya Zandi

A theory on the conformation transition for SARS-CoV-2 spike protein (S) is proposed. The conformation equilibrium between open (up) and closed (down) conformations of receptor binding domain (RBD) of the spike is studied from the…

Biomolecules · Quantitative Biology 2021-02-01 Liaofu Luo , Yongchun Zuo

The SARS-CoV-2 coronavirus is the cause of the COVID-19 disease in humans. Like many coronaviruses, it can adapt to different hosts and evolve into different lineages. It is well-known that the major SARS-CoV-2 lineages are characterized by…

Machine Learning · Computer Science 2022-11-23 Sarwan Ali

COVID-19 is a devastating respiratory and inflammatory illness caused by a new coronavirus that is rapidly spreading throughout the human population. Over the past 6 months, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the…

Recent events leading to the worldwide pandemic of COVID-19 have demonstrated the effective use of genomic sequencing technologies to establish the genetic sequence of this virus. In contrast, the COVID-19 pandemic has demonstrated the…

Biomolecules · Quantitative Biology 2020-07-28 Niharika Pandala , Casey A. Cole , Devaun McFarland , Anita Nag , Homayoun Valafar

The COVID-19 pandemic started in Wuhan, China, and caused the worldwide spread of the RNA virus SARS-CoV-2, the causative agent of COVID-19. Because of its mutational rate, wide geographical distribution, and host response variance this…

Populations and Evolution · Quantitative Biology 2021-12-23 Taima N. Furuyama , Fernando Antoneli , Isabel M. V. G. Carvalho , Marcelo R. S. Briones , Luiz M. R. Janini

The outbreak of the coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has become a worldwide public health crisis. When the SARS-CoV-2 enters the biological fluids in the human body,…

Biological Physics · Physics 2021-02-11 Yue-wen Yin , Yan-jing Sheng , Min Wang , Song-di Ni , Hong-ming Ding , Yu-qiang Ma

The availability of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) virus data post-COVID has reached exponentially to an enormous magnitude, opening research doors to analyze its behavior. Various studies are conducted by…

Neural and Evolutionary Computing · Computer Science 2025-01-28 Taslim Murad , Prakash Chourasia , Sarwan Ali , Imdad Ullah Khan , Murray Patterson

The SARS-CoV-2 spike (S) protein facilitates viral infection, and has been the focus of many structure determination efforts. Its flexible loop regions are known to be involved in protein binding and may adopt multiple conformations. This…

Biomolecules · Quantitative Biology 2021-10-14 Samuel W. K. Wong , Zongjun Liu

The spike protein (SP) of SARS-CoV-2 is the major molecular target for making diagnostic tests, vaccines, and therapeutic development. We used a combination of transmission electron microscopy (TEM) and surface enhanced Raman microscopy…

Biological Physics · Physics 2025-01-30 Monika Ghalawat , Virendra Kumar Meena , Sharda Prasad , Pankaj Poddar , Atanu Basu

The spike glycoprotein of the SARS-CoV-2 virus, which causes COVID-19, has attracted attention for its vaccine potential and binding capacity to host cell surface receptors. Much of this research focus has centered on the ectodomain of the…

Biomolecules · Quantitative Biology 2020-10-20 Sepehr Ehsani

SARS-CoV-2 coronavirus infection is mediated by the binding of its spike protein to the angiotensin-converting enzyme 2 (ACE2), which plays a pivotal role in the renin-angiotensin system (RAS). The study of RAS dysregulation due to…

Molecular Networks · Quantitative Biology 2020-08-04 Fabrizio Pucci , Philippe Bogaerts , Marianne Rooman

The infectivity of SARS-CoV-2 depends on the binding affinity of the receptor-binding domain (RBD) of the spike protein with the angiotensin converting enzyme 2 (ACE2) receptor. The calculated RBD-ACE2 binding energies indicate that the…

Biomolecules · Quantitative Biology 2022-04-28 Lin Yang , Shuai Guo , Chengyu Houc , Jiacheng Lia , Liping Shi , Chenchen Liao , Rongchun Shi , Xiaoliang Ma , Bing Zheng , Yi Fang , Lin Ye , Xiaodong He

The devastating impact of the COVID-19 pandemic caused by SARS coronavirus 2 (SARS CoV 2) has raised important questions about viral origin, mechanisms of zoonotic transfer to humans, whether companion or commercial animals can act as…

Biomolecules · Quantitative Biology 2021-07-12 Sakshi Piplani , Puneet Kumar Singh , David A. Winkler , Nikolai Petrovsky

COVID-19 is an infection caused by SARS-CoV-2 (Severe Acute Respiratory Syndrome coronavirus 2), which has caused a global outbreak. Current research efforts are focused on the understanding of the molecular mechanisms involved in…

The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a major worldwide public health emergency that has infected over $1.5$ million people. The partially open state of S1 subunit in spike glycoprotein is considered…

Biomolecules · Quantitative Biology 2020-04-14 Hao Tian , Peng Tao

The wide spread of coronavirus disease 2019 (COVID-19) has declared a global health emergency. As one of the most important targets for antibody and drug developments, Spike RBD-ACE2 interface has received extensive attention. Here, using…

Biomolecules · Quantitative Biology 2021-05-14 Yanmei Yang , Yunju Zhang , Yuanyuan Qu , Xuewei Liu , Mingwen Zhao , Yuguang Mu , Weifeng Li
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